Abstract
B3LYP/6-31G(d) optimization of
* Corresponding authors
a
Departamento de Química Física y Analítica, Universidad de Oviedo, C/ Julián Clavería, 8, Oviedo, Spain
E-mail:
tsordo@uniovi.es
Fax: +34 985103125
Tel: +34 985103475
b
Departamento de Ciencias Químicas, Facultad de Química y Biología, Universidad de Santiago de Chile (USACH), Casilla 40, Santiago, Chile
E-mail:
gcardena@lauca.usach.cl
Fax: +56-2 6812108
Tel: +56-2 7181137
B3LYP/6-31G(d) optimization of
P. Campomanes, M. I. Menéndez, G. I. Cárdenas-Jirón and T. L. Sordo, Phys. Chem. Chem. Phys., 2007, 9, 5644 DOI: 10.1039/B709198B
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